Geometry & MOs

Info

ID:	403991
PubChem CID:	135064095
Reduced:	N3O4H11C12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	277.132746
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	7.02
IP(EA), eV:	-9.8(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-phenyl-3,4-dihydropyrazol-4-yl)benzotriazole

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations